5-(4-fluorophenyl)-2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole

C17H12FN3OS — CID 27724336

IUPAC5-(4-fluorophenyl)-2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole
SMILESFc1ccc(-c2cnc(CSc3ncc4ccccn34)o2)cc1
InChIInChI=1S/C17H12FN3OS/c18-13-6-4-12(5-7-13)15-10-19-16(22-15)11-23-17-20-9-14-3-1-2-8-21(14)17/h1-10H,11H2
InChIKeyNOHNMHSRUKEMFB-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.42
Rot. Bonds4

About 5-(4-fluorophenyl)-2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole

5-(4-fluorophenyl)-2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole (PubChem CID 27724336) has the molecular formula C17H12FN3OS and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole
PubChem CID27724336
Molecular FormulaC17H12FN3OS
Molecular Weight325.37 g/mol
Exact Mass325.07
IUPAC Name5-(4-fluorophenyl)-2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole
SMILESFc1ccc(-c2cnc(CSc3ncc4ccccn34)o2)cc1
InChIInChI=1S/C17H12FN3OS/c18-13-6-4-12(5-7-13)15-10-19-16(22-15)11-23-17-20-9-14-3-1-2-8-21(14)17/h1-10H,11H2
InChIKeyNOHNMHSRUKEMFB-UHFFFAOYSA-N
XLogP4.42
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole (CID 27724336) is 5-(4-fluorophenyl)-2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole is Fc1ccc(-c2cnc(CSc3ncc4ccccn34)o2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole?
The InChIKey is NOHNMHSRUKEMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3OS/c18-13-6-4-12(5-7-13)15-10-19-16(22-15)11-23-17-20-9-14-3-1-2-8-21(14)17/h1-10H,11H2.
What are the key properties of 5-(4-fluorophenyl)-2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole?
5-(4-fluorophenyl)-2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole has a molecular weight of 325.37 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole is sourced from PubChem (CID 27724336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).